%chk=000216102.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216102

0 1
S -1.967890 1.015048 -2.411562
O 5.301266 0.146450 -1.947073
O 0.023781 0.531166 -0.801577
O -1.938099 1.442514 1.929454
N 3.119337 0.620725 -0.168135
N 0.243240 0.905359 2.144294
C 2.343051 1.379306 0.864254
C 4.462741 0.205734 0.352455
C 3.275851 1.424493 -1.425628
C 1.523485 0.340639 1.670204
C 5.174280 -0.619102 -0.732637
C 4.023629 0.573315 -2.463280
C -1.068704 0.171276 0.055799
C -0.951592 0.920527 1.428157
C -1.153474 -1.331104 0.287981
C -2.240187 0.668176 -0.720716
C 0.315514 1.689247 3.403368
C -0.587280 -2.212873 -0.642809
C -1.832145 -1.837486 1.405170
C -3.530642 0.921950 -0.373173
C -4.326524 1.387269 -1.487790
C -0.673220 -3.592795 -0.440646
C -1.917324 -3.218340 1.602208
C -3.628943 1.484735 -2.652172
C -1.334334 -4.097366 0.683743
H 2.970920 1.994138 1.538101
H 1.641269 2.089148 0.362908
H 5.099082 1.070178 0.641719
H 4.312616 -0.413508 1.261295
H 2.259413 1.677504 -1.805925
H 3.816549 2.381194 -1.263126
H 1.322328 -0.563116 1.042208
H 2.108132 -0.023507 2.543004
H 6.226593 -0.830275 -0.473593
H 4.636810 -1.558101 -0.952926
H 3.441659 -0.315952 -2.762330
H 4.311966 1.159786 -3.353548
H -0.677868 2.122962 3.643815
H 0.608485 1.037165 4.241292
H 1.033663 2.518857 3.317204
H -0.096069 -1.821611 -1.535787
H -2.303863 -1.157615 2.118798
H 0.829951 -0.029859 -0.637113
H -3.931693 0.819801 0.629419
H -5.373823 1.628440 -1.367959
H -0.231556 -4.275010 -1.165453
H -2.444103 -3.608926 2.471848
H -3.980058 1.802795 -3.617451
H -1.401821 -5.172750 0.839808


%chk=000216102-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216102

0 1
S -0.761956 -0.719257 -2.610940
O 3.111914 1.925366 -2.880379
O 0.929648 -0.976510 -0.306390
O -1.241742 1.355966 1.545675
N 2.874914 0.748991 -0.224013
N 0.910301 0.714971 2.098733
C 3.272761 0.497960 1.202770
C 3.899302 0.269843 -1.211561
C 2.541404 2.190600 -0.482859
C 2.125582 -0.127469 2.043472
C 3.389816 0.499128 -2.645452
C 2.076605 2.380729 -1.936586
C -0.349166 -0.506617 0.195188
C -0.243906 0.597271 1.321710
C -1.080707 -1.722524 0.839865
C -1.154453 0.029942 -0.997779
C 0.916305 1.746970 3.158973
C -0.469185 -2.998050 0.832807
C -2.362666 -1.566148 1.423298
C -2.209034 0.922453 -1.118954
C -2.719314 1.049066 -2.465112
C -1.132143 -4.107158 1.407637
C -3.019309 -2.673975 2.000934
C -2.065352 0.244069 -3.381898
C -2.407380 -3.950000 1.995955
H 4.124524 -0.207950 1.219621
H 3.624460 1.442482 1.667315
H 4.861269 0.808989 -1.064704
H 4.068002 -0.809912 -1.043787
H 1.739589 2.497653 0.211115
H 3.437903 2.822980 -0.293223
H 1.868826 -1.118914 1.645540
H 2.494052 -0.250576 3.080818
H 4.161141 0.219310 -3.381042
H 2.471896 -0.100256 -2.822360
H 1.130337 1.829412 -2.116296
H 1.922937 3.449737 -2.154726
H 0.013625 2.365725 3.051468
H 0.907730 1.272351 4.158705
H 1.817532 2.383150 3.076372
H 0.510309 -3.104377 0.359216
H -2.838331 -0.579884 1.430160
H 1.636648 -0.188284 -0.388116
H -2.590036 1.476468 -0.261016
H -3.541087 1.718238 -2.733905
H -0.653974 -5.093577 1.390416
H -4.009549 -2.541892 2.451785
H -2.234790 0.144385 -4.452991
H -2.920849 -4.810273 2.440637


